what

tentative metabolite identification based on m/z value search

Common mass spectrometry tools described in John Roboz (2013) <doi:10.1201/b15436>. It allows checking element
isotopes, calculating (isotope labelled) exact monoisitopic mass, m/z values and mass accuracy, and inspecting possible contaminant mass peaks,
examining possible adducts in electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI)
ion sources.

Yonghui Dong

MSbox

Mass Spectrometry Tools

what function

<dl><dt>myMZ</dt>
<dd>m/z values</dd>
<dt>mode</dt>
<dd>ionization mode, either positive '+' or negative '-'</dd>
<dt>ppm</dt>
<dd>mass tolerance, default value = 10</dd>
<dt>useDB</dt>
<dd>which database to use, HMDB or KEGG? default is HMDB</dd></dl>

Arguments

Author

search for m/z in from the idiom metabolomics database — what

<dl>

<dt>myMZ</dt>
<dd>m/z values</dd>


<dt>mode</dt>
<dd>ionization mode, either positive '+' or negative '-'</dd>


<dt>ppm</dt>
<dd>mass tolerance, default value = 10</dd>


<dt>useDB</dt>
<dd>which database to use, HMDB or KEGG? default is HMDB</dd>

</dl>

what: search for m/z in from the idiom metabolomics database

Description

Usage

Arguments

Author

Examples